#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nbt n THR 2 N 0.00 0.00 0.00 5.15 -1.04 -1.26 0.18 114.28 117.31 2nbt n THR 2 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2nbt n THR 2 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2nbt n THR 2 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2nbt n LEU 4 N -1.44 0.00 0.00 0.00 -0.00 -1.26 -3.21 117.00 111.09 2nbt n LEU 4 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2nbt n LEU 4 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2nbt n LEU 4 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.39 2nbt n ILE 5 N 0.00 0.00 0.06 1.47 0.13 -1.13 -4.31 119.36 115.58 2nbt n ILE 5 Ca 0.00 0.00 -0.03 0.00 -1.10 0.00 0.00 62.75 61.62 2nbt n ILE 5 Cb 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 39.64 38.79 2nbt n ILE 5 CO 0.00 0.00 0.00 -1.28 2.80 0.00 0.00 176.55 178.07 2nbt h SER 6 N 0.00 -0.15 0.22 9.51 0.87 -1.80 0.01 113.55 122.21 2nbt h SER 6 Ca 0.00 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2nbt h SER 6 Cb 0.00 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 2nbt h SER 6 CO 0.00 -0.01 0.00 -0.81 -0.53 0.00 0.00 176.83 175.48 2nbt n PRO 7 N -3.01 0.06 -0.10 2.24 -0.04 -1.26 -2.56 135.00 130.34 2nbt n PRO 7 Ca -0.02 0.28 -0.24 0.00 -0.04 0.00 0.00 63.50 63.48 2nbt n PRO 7 Cb 0.07 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 31.92 2nbt n PRO 7 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2nbt n SER 8 N -1.39 1.94 0.00 3.54 7.64 -1.23 -5.07 113.62 119.06 2nbt n SER 8 Ca 0.03 0.32 0.00 0.00 1.01 0.00 0.00 58.87 60.23 2nbt n SER 8 Cb 0.08 -0.86 0.00 0.00 -1.01 0.00 0.00 64.21 62.42 2nbt n SER 8 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2nbt n SER 9 N -4.14 0.00 0.03 6.43 2.88 -0.02 -4.83 113.62 113.96 2nbt n SER 9 Ca -0.40 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.13 2nbt n SER 9 Cb 0.82 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 64.28 2nbt n SER 9 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 2nbt n THR 10 N 0.00 1.12 -1.18 2.46 5.66 -1.19 -4.56 114.28 116.60 2nbt n THR 10 Ca 0.00 0.33 -0.30 0.00 -3.05 0.00 0.00 64.05 61.02 2nbt n THR 10 Cb 0.00 -1.65 0.25 0.00 -1.55 0.00 0.00 70.33 67.37 2nbt n THR 10 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 2nbt s PRO 11 N -2.09 -1.34 0.00 1.09 0.04 -1.26 -4.58 135.00 126.86 2nbt s PRO 11 Ca -0.03 -0.24 0.00 0.00 0.04 0.00 0.00 61.00 60.77 2nbt s PRO 11 Cb 0.01 -1.60 0.00 0.00 0.04 0.00 0.00 34.50 32.95 2nbt s PRO 11 CO 0.05 -3.75 0.00 0.00 0.04 0.00 0.00 177.00 173.33 2nbt n GLN 12 N -4.76 0.00 -4.02 4.56 10.64 -1.26 -2.82 117.38 119.72 2nbt n GLN 12 Ca 0.15 0.00 -0.08 0.00 -1.83 0.00 0.00 57.00 55.25 2nbt n GLN 12 Cb 0.60 0.00 -0.09 0.00 -0.86 0.00 0.00 30.24 29.89 2nbt n GLN 12 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 2nbt s THR 13 N 0.00 0.20 0.23 -0.39 2.01 -1.26 -4.47 115.64 111.96 2nbt s THR 13 Ca 0.00 -1.61 -0.06 0.00 0.31 0.00 0.00 61.69 60.34 2nbt s THR 13 Cb 0.00 -1.46 -0.02 0.00 0.01 0.00 0.00 72.50 71.03 2nbt s THR 13 CO 0.00 -0.89 0.30 0.00 -0.69 0.00 0.00 174.62 173.34 2nbt s PRO 15 N -3.99 1.82 0.47 0.00 0.04 -1.26 -4.82 135.00 127.26 2nbt s PRO 15 Ca 0.32 1.34 0.23 0.00 0.04 0.00 0.00 61.00 62.93 2nbt s PRO 15 Cb 0.03 -1.84 1.26 0.00 0.04 0.00 0.00 34.50 33.99 2nbt s PRO 15 CO 0.12 -2.00 1.89 -0.97 0.04 0.00 0.00 177.00 176.08 2nbt h ASN 16 N -1.33 0.22 0.00 6.66 -1.24 -1.95 -3.41 115.58 114.53 2nbt h ASN 16 Ca -0.44 0.02 0.00 0.00 0.71 0.00 0.00 56.30 56.60 2nbt h ASN 16 Cb 1.25 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 40.28 2nbt h ASN 16 CO 0.48 0.09 0.00 0.61 -1.29 0.00 0.00 177.43 177.32 2nbt n GLY 17 N -1.60 0.65 0.00 1.57 0.00 -1.26 -4.72 105.19 99.83 2nbt n GLY 17 Ca 0.18 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.65 2nbt n GLY 17 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2nbt n GLN 18 N 0.00 0.00 -5.20 1.61 7.27 -1.26 -5.02 117.38 114.78 2nbt n GLN 18 Ca 0.00 0.00 -0.31 0.00 0.07 0.00 0.00 57.00 56.76 2nbt n GLN 18 Cb 0.00 -0.48 -0.15 0.00 2.41 0.00 0.00 30.24 32.01 2nbt n GLN 18 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 2nbt s ASP 19 N -2.15 3.17 0.97 1.69 1.01 -1.26 -4.62 116.67 115.48 2nbt s ASP 19 Ca 0.00 -0.46 -0.26 0.00 0.71 0.00 0.00 52.55 52.53 2nbt s ASP 19 Cb 0.00 -0.38 -0.19 0.00 1.01 0.00 0.00 42.92 43.36 2nbt s ASP 19 CO 0.00 0.31 -1.47 0.00 0.21 0.00 0.00 175.17 174.22 2nbt n ILE 20 N 2.31 0.00 -0.58 0.77 0.13 0.71 -3.33 119.36 119.36 2nbt n ILE 20 Ca -0.16 -0.03 -0.17 0.00 -1.10 0.00 0.00 62.75 61.29 2nbt n ILE 20 Cb 0.51 0.00 -0.06 0.00 -0.84 0.00 0.00 39.64 39.25 2nbt n ILE 20 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2nbt s PHE 22 N 3.44 0.36 0.05 0.00 -0.71 -0.02 -0.07 117.98 121.03 2nbt s PHE 22 Ca 0.53 -0.94 0.02 0.00 -1.04 0.00 0.00 56.93 55.51 2nbt s PHE 22 Cb -0.50 0.63 -0.03 0.00 -1.21 0.00 0.00 43.02 41.91 2nbt s PHE 22 CO 0.20 -1.49 -0.08 -1.17 -1.34 0.00 0.00 175.22 171.34 2nbt s LEU 23 N -3.12 2.28 -0.17 -1.99 0.20 0.48 -2.13 118.68 114.24 2nbt s LEU 23 Ca 0.19 -0.60 0.01 0.00 0.69 0.00 0.00 54.13 54.42 2nbt s LEU 23 Cb -0.04 -0.18 0.02 0.00 -0.43 0.00 0.00 46.19 45.56 2nbt s LEU 23 CO 0.14 -0.22 -0.20 -0.75 -0.29 0.00 0.00 176.35 175.03 2nbt s LYS 24 N -1.83 3.02 -0.10 1.98 2.20 0.02 -3.20 119.74 121.83 2nbt s LYS 24 Ca -0.07 -0.82 -0.01 0.00 -0.36 0.00 0.00 55.97 54.70 2nbt s LYS 24 Cb -0.08 -2.56 0.03 0.00 -1.51 0.00 0.00 37.83 33.71 2nbt s LYS 24 CO -0.00 -0.15 -0.03 0.00 -0.36 0.00 0.00 175.35 174.81 2nbt s ALA 25 N 1.16 1.02 0.00 3.13 0.00 -0.54 -2.50 121.76 124.04 2nbt s ALA 25 Ca 0.02 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 51.59 2nbt s ALA 25 Cb -0.14 -0.88 0.00 0.00 0.00 0.00 0.00 23.12 22.11 2nbt s ALA 25 CO -0.09 -0.53 0.00 0.00 0.00 0.00 0.00 175.76 175.14 2nbt n GLN 26 N 5.04 0.00 -3.65 0.00 10.64 -1.24 -1.35 117.38 126.82 2nbt n GLN 26 Ca -0.10 0.00 -0.01 0.00 -1.83 0.00 0.00 57.00 55.06 2nbt n GLN 26 Cb 0.50 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.81 2nbt n GLN 26 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2nbt s ASP 28 N 1.12 1.10 -0.06 0.00 2.15 0.27 -4.68 116.67 116.58 2nbt s ASP 28 Ca -0.07 -1.24 -0.01 0.00 0.43 0.00 0.00 52.55 51.65 2nbt s ASP 28 Cb -0.03 0.15 0.01 0.00 -0.30 0.00 0.00 42.92 42.75 2nbt s ASP 28 CO -0.13 -0.64 0.03 0.29 -0.17 0.00 0.00 175.17 174.56 2nbt n LYS 29 N -0.30 -1.54 0.00 4.34 5.02 -1.26 -2.41 118.16 122.01 2nbt n LYS 29 Ca -0.04 1.50 0.00 0.00 -2.02 0.00 0.00 58.31 57.75 2nbt n LYS 29 Cb 0.64 -1.90 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 2nbt n LYS 29 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2nbt n PHE 30 N 1.76 0.00 -2.22 2.13 3.72 -1.26 -4.03 117.46 117.56 2nbt n PHE 30 Ca -0.05 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.31 2nbt n PHE 30 Cb 0.27 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.81 2nbt n PHE 30 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2nbt n SER 32 N -1.19 0.00 0.00 0.00 3.41 -1.26 -4.86 113.62 109.72 2nbt n SER 32 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 2nbt n SER 32 Cb 0.46 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 2nbt n SER 32 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 2nbt n ILE 33 N 0.00 0.00 -1.21 -1.33 5.41 -1.26 -4.90 119.36 116.07 2nbt n ILE 33 Ca 0.00 0.00 0.08 0.00 1.00 0.00 0.00 62.75 63.83 2nbt n ILE 33 Cb 0.00 -0.63 0.17 0.00 -0.71 0.00 0.00 39.64 38.47 2nbt n ILE 33 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44 2nbt n ARG 34 N -2.08 1.47 0.04 0.38 1.85 -1.26 -4.70 116.66 112.36 2nbt n ARG 34 Ca 0.00 -2.80 -0.18 0.00 -1.00 0.00 0.00 57.85 53.87 2nbt n ARG 34 Cb 0.00 -1.56 -0.08 0.00 -1.05 0.00 0.00 32.46 29.77 2nbt n ARG 34 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 2nbt h GLY 35 N 0.39 0.72 -2.48 2.89 0.00 -1.70 -3.46 103.07 99.44 2nbt h GLY 35 Ca 0.01 -1.22 -0.49 0.00 0.00 0.00 0.00 47.33 45.63 2nbt h GLY 35 CO 0.02 1.08 0.44 2.56 0.00 0.00 0.00 176.54 180.64 2nbt s PRO 36 N -3.38 3.79 0.15 4.80 0.04 -1.25 -0.57 135.00 138.58 2nbt s PRO 36 Ca -0.09 1.59 -0.03 0.00 0.04 0.00 0.00 61.00 62.52 2nbt s PRO 36 Cb 0.08 -2.30 -0.03 0.00 0.04 0.00 0.00 34.50 32.28 2nbt s PRO 36 CO 0.91 -0.48 0.12 0.08 0.04 0.00 0.00 177.00 177.66 2nbt s VAL 37 N -1.70 0.08 -0.20 -0.36 1.01 -1.25 -4.93 120.40 113.05 2nbt s VAL 37 Ca 0.65 -1.82 -0.04 0.00 0.00 0.00 0.00 61.98 60.77 2nbt s VAL 37 Cb -0.24 -2.08 0.10 0.00 0.00 0.00 0.00 36.38 34.16 2nbt s VAL 37 CO 0.28 -0.35 0.25 -0.63 0.00 0.00 0.00 175.10 174.65 2nbt s ILE 38 N -4.05 -0.37 -0.03 2.22 1.01 -1.23 -3.65 121.20 115.09 2nbt s ILE 38 Ca 0.25 -0.07 0.07 0.00 0.00 0.00 0.00 60.65 60.90 2nbt s ILE 38 Cb 0.06 -0.67 -0.02 0.00 0.01 0.00 0.00 42.46 41.84 2nbt s ILE 38 CO 0.03 -0.16 -0.23 -1.61 0.00 0.00 0.00 174.94 172.97 2nbt s GLU 39 N 2.37 2.29 -0.01 2.79 2.02 -1.04 -4.90 118.70 122.21 2nbt s GLU 39 Ca 0.07 -0.88 0.04 0.00 0.02 0.00 0.00 54.97 54.23 2nbt s GLU 39 Cb -0.15 -2.14 -0.01 0.00 0.10 0.00 0.00 34.13 31.93 2nbt s GLU 39 CO -0.12 0.53 -0.13 -1.14 0.02 0.00 0.00 175.26 174.42 2nbt s GLN 40 N -0.53 1.07 0.00 1.61 0.74 -1.26 -0.80 119.66 120.49 2nbt s GLN 40 Ca 0.07 -0.46 0.00 0.00 0.05 0.00 0.00 55.36 55.02 2nbt s GLN 40 Cb -0.11 -1.03 0.00 0.00 1.10 0.00 0.00 33.01 32.97 2nbt s GLN 40 CO 0.00 0.27 0.00 0.41 -0.55 0.00 0.00 175.29 175.42 2nbt n GLY 41 N 2.80 -1.19 3.61 2.59 0.00 -0.90 -5.01 105.19 107.09 2nbt n GLY 41 Ca -0.14 -0.87 -0.28 0.00 0.00 0.00 0.00 46.02 44.73 2nbt n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nbt n VAL 43 N -0.96 0.00 0.00 0.00 0.31 -1.21 -4.25 118.33 112.22 2nbt n VAL 43 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 2nbt n VAL 43 Cb 0.67 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.60 2nbt n VAL 43 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2nbt n ALA 44 N -1.34 0.00 -2.51 3.52 0.00 -1.26 0.19 120.51 119.12 2nbt n ALA 44 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 2nbt n ALA 44 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 2nbt n ALA 44 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2nbt s THR 45 N 0.00 1.56 -0.04 0.00 2.01 -1.26 -4.54 115.64 113.37 2nbt s THR 45 Ca 0.00 -1.72 0.04 0.00 0.31 0.00 0.00 61.69 60.31 2nbt s THR 45 Cb 0.00 -1.61 -0.03 0.00 0.01 0.00 0.00 72.50 70.87 2nbt s THR 45 CO 0.00 -0.30 -0.13 0.00 -0.69 0.00 0.00 174.62 173.50 2nbt s PRO 47 N -0.86 3.29 -0.72 0.00 0.04 -1.26 -4.83 135.00 130.66 2nbt s PRO 47 Ca 0.12 1.65 -0.07 0.00 0.04 0.00 0.00 61.00 62.75 2nbt s PRO 47 Cb -0.11 -1.99 -0.06 0.00 0.04 0.00 0.00 34.50 32.38 2nbt s PRO 47 CO 0.02 -0.91 1.88 1.04 0.04 0.00 0.00 177.00 179.07 2nbt n GLN 48 N -1.34 1.62 0.00 4.56 6.02 -1.26 -4.83 117.38 122.15 2nbt n GLN 48 Ca 0.12 -1.31 0.00 0.00 -0.01 0.00 0.00 57.00 55.80 2nbt n GLN 48 Cb 0.51 -2.41 0.00 0.00 1.02 0.00 0.00 30.24 29.36 2nbt n GLN 48 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 2nbt n PHE 49 N 4.73 0.00 -4.38 1.08 3.01 -1.26 -4.91 117.46 115.72 2nbt n PHE 49 Ca 0.37 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.59 2nbt n PHE 49 Cb 0.14 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.52 2nbt n PHE 49 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 2nbt s ARG 50 N 0.00 1.98 0.00 -1.08 0.52 -1.26 -5.01 118.95 114.10 2nbt s ARG 50 Ca 0.00 -1.62 -0.04 0.00 -0.52 0.00 0.00 55.73 53.56 2nbt s ARG 50 Cb 0.00 -1.95 -0.16 0.00 0.52 0.00 0.00 34.95 33.35 2nbt s ARG 50 CO 0.00 0.33 2.72 0.43 0.02 0.00 0.00 175.30 178.80 2nbt n SER 51 N -0.77 4.39 -0.00 0.23 7.64 -1.26 -3.71 113.62 120.15 2nbt n SER 51 Ca -0.06 -2.28 0.00 0.00 1.01 0.00 0.00 58.87 57.55 2nbt n SER 51 Cb 0.60 -1.12 -0.00 0.00 -1.01 0.00 0.00 64.21 62.67 2nbt n SER 51 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2nbt n ASN 52 N 2.31 0.11 -1.72 6.43 4.13 -1.26 -5.04 115.26 120.23 2nbt n ASN 52 Ca 0.26 -0.56 0.00 0.00 1.68 0.00 0.00 54.58 55.96 2nbt n ASN 52 Cb 0.67 0.93 0.00 0.00 -1.54 0.00 0.00 39.78 39.84 2nbt n ASN 52 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 2nbt n TYR 53 N -0.94 -2.22 0.07 3.10 4.02 -1.24 -4.95 117.16 114.99 2nbt n TYR 53 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.90 2nbt n TYR 53 Cb 0.01 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.32 2nbt n TYR 53 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2nbt n ARG 54 N -0.74 3.76 -3.38 -0.72 5.12 -0.46 -4.97 116.66 115.27 2nbt n ARG 54 Ca 0.00 -0.01 0.03 0.00 -1.93 0.00 0.00 57.85 55.94 2nbt n ARG 54 Cb 0.00 -0.79 -0.05 0.00 -1.16 0.00 0.00 32.46 30.46 2nbt n ARG 54 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2nbt s SER 55 N -1.65 -0.07 -0.03 0.55 0.15 -0.88 -4.97 113.70 106.79 2nbt s SER 55 Ca 0.00 0.10 0.01 0.00 0.70 0.00 0.00 55.95 56.76 2nbt s SER 55 Cb 0.02 1.06 0.02 0.00 -1.71 0.00 0.00 66.02 65.41 2nbt s SER 55 CO 0.10 -0.02 -0.02 -0.22 1.20 0.00 0.00 173.24 174.28 2nbt s LEU 56 N 1.64 1.28 -0.17 3.45 0.20 -1.26 -1.46 118.68 122.35 2nbt s LEU 56 Ca -0.03 -0.07 0.00 0.00 0.69 0.00 0.00 54.13 54.72 2nbt s LEU 56 Cb -0.01 -0.32 0.01 0.00 -0.43 0.00 0.00 46.19 45.43 2nbt s LEU 56 CO -0.14 -0.07 -0.17 -0.22 -0.29 0.00 0.00 176.35 175.46 2nbt s LEU 57 N 0.92 2.33 0.01 -0.68 0.20 -1.19 -4.94 118.68 115.32 2nbt s LEU 57 Ca -0.11 -0.56 -0.02 0.00 0.69 0.00 0.00 54.13 54.14 2nbt s LEU 57 Cb -0.14 -1.53 -0.01 0.00 -0.43 0.00 0.00 46.19 44.08 2nbt s LEU 57 CO -0.01 0.04 0.02 0.00 -0.29 0.00 0.00 176.35 176.11 2nbt h THR 60 N 4.06 0.10 -3.08 0.00 1.35 -1.93 -3.42 112.91 110.00 2nbt h THR 60 Ca 0.17 0.00 -0.43 0.00 -0.55 0.00 0.00 66.41 65.60 2nbt h THR 60 Cb 0.74 0.79 -0.14 0.00 -1.73 0.00 0.00 68.15 67.81 2nbt h THR 60 CO 0.72 0.00 -0.64 0.42 -0.25 0.00 0.00 175.52 175.77 2nbt s THR 61 N -4.23 1.14 0.09 6.82 -4.23 -1.26 -5.00 115.64 108.97 2nbt s THR 61 Ca -0.04 -2.03 0.00 0.00 -1.18 0.00 0.00 61.69 58.44 2nbt s THR 61 Cb 0.11 -2.55 0.00 0.00 1.34 0.00 0.00 72.50 71.40 2nbt s THR 61 CO 0.37 -0.17 0.00 0.47 -0.54 0.00 0.00 174.62 174.75 2nbt n ASP 62 N -0.55 -6.62 -1.67 3.99 9.92 -1.26 -3.64 116.55 116.72 2nbt n ASP 62 Ca -0.04 0.40 -0.13 0.00 -0.53 0.00 0.00 54.79 54.50 2nbt n ASP 62 Cb 0.65 -1.13 0.09 0.00 -0.64 0.00 0.00 41.12 40.09 2nbt n ASP 62 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 2nbt n ASN 63 N -3.29 3.67 -0.94 -2.24 6.94 -1.20 -4.82 115.26 113.38 2nbt n ASN 63 Ca 0.00 -2.87 -0.08 0.00 -0.02 0.00 0.00 54.58 51.62 2nbt n ASN 63 Cb 0.17 -0.71 -0.03 0.00 -2.36 0.00 0.00 39.78 36.85 2nbt n ASN 63 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2nbt n ASN 65 N 0.08 -3.58 0.00 0.00 3.02 -1.26 -5.01 115.26 108.50 2nbt n ASN 65 Ca -0.08 -0.96 0.00 0.00 -0.03 0.00 0.00 54.58 53.51 2nbt n ASN 65 Cb 0.33 -3.02 0.00 0.00 -0.61 0.00 0.00 39.78 36.48 2nbt n ASN 65 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05